Natural Product: NPC139459

Natural Product ID:  NPC139459
Common Name:   (3Beta,5Beta)-Methyl 3-Hydroxy-20-Oxo-21-Norcholan-14,16-Dien-24-Oate
IUPAC Name:   methyl 4-[(3S,5R,8R,9S,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate
Synonyms:  
Molecular Formula:   C24H34O4
Standard InCHIKey:  XKVKXGBAWKDMBY-SPUBCZGMSA-N
Standard InCHI:  InChI=1S/C24H34O4/c1-23-12-10-16(25)14-15(23)4-5-17-18-6-7-20(21(26)8-9-22(27)28-3)24(18,2)13-11-19(17)23/h6-7,15-17,19,25H,4-5,8-14H2,1-3H3/t15-,16+,17+,19+,23+,24+/m1/s1
Canonical SMILES:  COC(=O)CCC(=O)C1=CC=C2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO18636 Hesperocyparis macrocarpa Species Cupressaceae Eukaryota UNPD*
NPO7543 Haplopappus venetus Species Asteraceae Eukaryota UNPD*
NPO6011 Pleurotus citrinopileatus Species Pleurotaceae Eukaryota UNPD*
NPO11981 Bufo gargarizans Species Bufonidae Eukaryota venom PMID[24050254]
NPO10672 Vitex megapotamica Species Lamiaceae Eukaryota UNPD*
NPO10043 Phebalium ozothamnoides Species Rutaceae Eukaryota UNPD*
NPO12012 Saururus cernuus Species Saururaceae Eukaryota UNPD*
NPO12250 Strychnos fendleri Species Loganiaceae Eukaryota UNPD*
NPO6887 Lytanthus salicinus NA NA NA UNPD*
NPO9576 Bufo bufo Species Bufonidae Eukaryota UNPD*
NPO21463 Aruncus dioicus Species Rosaceae Eukaryota UNPD*
NPO2498 Kochia trichophylla Species Chenopodiaceae Eukaryota UNPD*
NPO7884 Centaurea amara Species Asteraceae Eukaryota UNPD*
NPO4797 Gavia immer Species Gaviidae Eukaryota UNPD*
NPO5177 Lecanora conizaeoides Species Lecanoraceae Eukaryota UNPD*
NPO223 Rhaponticum carthamoides Species Asteraceae Eukaryota UNPD*
NPO11515 Streptomyces plumbeus Species Streptomycetaceae Bacteria UNPD*
NPO26231 Vicia villosa Species Fabaceae Eukaryota UNPD*
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota UNPD*
NPO9398 Cortinarius rubellus Species Cortinariaceae Eukaryota UNPD*
NPO664 Potentilla multifida Species Rosaceae Eukaryota UNPD*
NPO2917 Artemisia oranensis Species Asteraceae Eukaryota UNPD*
NPO3983 Piper futokadsura Species Piperaceae Eukaryota UNPD*
NPO12952 Cabucala madagascariensis Species Apocynaceae Eukaryota UNPD*
NPO19205 Buxus sempervirens Species Buxaceae Eukaryota UNPD*
NPO12735 Halimeda macroloba Species Halimedaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 100000 nM 24050254
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 24050254
NPT65 Cell Line HepG2 Homo sapiens IC50 > 100000 nM 24050254

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC139459 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9022 High Similarity NPC49670
0.8913 High Similarity NPC170220
0.8913 High Similarity NPC107674
0.8913 High Similarity NPC141497
0.8804 High Similarity NPC212301
0.8804 High Similarity NPC110657
0.8804 High Similarity NPC86266
0.8791 High Similarity NPC477973
0.871 High Similarity NPC214756
0.871 High Similarity NPC272075
0.871 High Similarity NPC295643
0.8646 High Similarity NPC57079
0.8646 High Similarity NPC108368
0.8632 High Similarity NPC471039
0.8632 High Similarity NPC471153
0.8632 High Similarity NPC250757
0.8632 High Similarity NPC301534
0.8617 High Similarity NPC159410
0.8602 High Similarity NPC297265
0.8602 High Similarity NPC65120
0.8602 High Similarity NPC158030
0.8602 High Similarity NPC4036
0.8602 High Similarity NPC233455
0.8602 High Similarity NPC145067
0.8542 High Similarity NPC89225
0.8526 High Similarity NPC88310
0.8511 High Similarity NPC474185
0.85 High Similarity NPC189863
0.8495 Intermediate Similarity NPC475965
0.8495 Intermediate Similarity NPC474842
0.8495 Intermediate Similarity NPC126993
0.8495 Intermediate Similarity NPC85173
0.8495 Intermediate Similarity NPC291028
0.8485 Intermediate Similarity NPC282233
0.8485 Intermediate Similarity NPC95585
0.8478 Intermediate Similarity NPC474677
0.8462 Intermediate Similarity NPC73038
0.8454 Intermediate Similarity NPC194196
0.8454 Intermediate Similarity NPC471966
0.8454 Intermediate Similarity NPC478056
0.8438 Intermediate Similarity NPC98874
0.8438 Intermediate Similarity NPC167193
0.8438 Intermediate Similarity NPC472806
0.8421 Intermediate Similarity NPC471040
0.8421 Intermediate Similarity NPC74751
0.8404 Intermediate Similarity NPC105189
0.8387 Intermediate Similarity NPC95246
0.8387 Intermediate Similarity NPC474972
0.8387 Intermediate Similarity NPC161751
0.8387 Intermediate Similarity NPC119416
0.837 Intermediate Similarity NPC141292
0.8367 Intermediate Similarity NPC266955
0.8367 Intermediate Similarity NPC35751
0.8351 Intermediate Similarity NPC253826
0.8351 Intermediate Similarity NPC108078
0.8333 Intermediate Similarity NPC274417
0.8333 Intermediate Similarity NPC312480
0.8333 Intermediate Similarity NPC148523
0.8333 Intermediate Similarity NPC139570
0.8333 Intermediate Similarity NPC476174
0.8317 Intermediate Similarity NPC266570
0.8316 Intermediate Similarity NPC294263
0.8316 Intermediate Similarity NPC134826
0.8316 Intermediate Similarity NPC49776
0.8316 Intermediate Similarity NPC63118
0.8316 Intermediate Similarity NPC474436
0.8315 Intermediate Similarity NPC278459
0.83 Intermediate Similarity NPC264048
0.83 Intermediate Similarity NPC478057
0.8298 Intermediate Similarity NPC193750
0.8298 Intermediate Similarity NPC227467
0.8298 Intermediate Similarity NPC210037
0.8298 Intermediate Similarity NPC290614
0.8298 Intermediate Similarity NPC273621
0.8298 Intermediate Similarity NPC477872
0.8298 Intermediate Similarity NPC7260
0.8298 Intermediate Similarity NPC46441
0.8298 Intermediate Similarity NPC18872
0.8298 Intermediate Similarity NPC120968
0.8283 Intermediate Similarity NPC115899
0.8283 Intermediate Similarity NPC118174
0.8283 Intermediate Similarity NPC282524
0.828 Intermediate Similarity NPC310752
0.828 Intermediate Similarity NPC472802
0.828 Intermediate Similarity NPC182797
0.828 Intermediate Similarity NPC40552
0.828 Intermediate Similarity NPC104560
0.828 Intermediate Similarity NPC473229
0.828 Intermediate Similarity NPC246708
0.828 Intermediate Similarity NPC292491
0.828 Intermediate Similarity NPC52169
0.8261 Intermediate Similarity NPC325594
0.8247 Intermediate Similarity NPC469545
0.8247 Intermediate Similarity NPC5532
0.8247 Intermediate Similarity NPC61369
0.8229 Intermediate Similarity NPC299100
0.8229 Intermediate Similarity NPC471207
0.8229 Intermediate Similarity NPC269729
0.8229 Intermediate Similarity NPC80365
0.8218 Intermediate Similarity NPC472868
0.8211 Intermediate Similarity NPC473986
0.8211 Intermediate Similarity NPC230064
0.8211 Intermediate Similarity NPC38754
0.8211 Intermediate Similarity NPC272746
0.8211 Intermediate Similarity NPC474525
0.8211 Intermediate Similarity NPC474018
0.8211 Intermediate Similarity NPC187722
0.8211 Intermediate Similarity NPC301244
0.8211 Intermediate Similarity NPC473167
0.8211 Intermediate Similarity NPC154101
0.82 Intermediate Similarity NPC32577
0.82 Intermediate Similarity NPC473163
0.82 Intermediate Similarity NPC155332
0.82 Intermediate Similarity NPC136289
0.82 Intermediate Similarity NPC114540
0.8191 Intermediate Similarity NPC61543
0.8191 Intermediate Similarity NPC64872
0.8191 Intermediate Similarity NPC225585
0.8191 Intermediate Similarity NPC234346
0.8191 Intermediate Similarity NPC127689
0.8191 Intermediate Similarity NPC59263
0.8191 Intermediate Similarity NPC198664
0.8191 Intermediate Similarity NPC474704
0.8191 Intermediate Similarity NPC270768
0.8191 Intermediate Similarity NPC475921
0.8191 Intermediate Similarity NPC121798
0.8191 Intermediate Similarity NPC263393
0.8191 Intermediate Similarity NPC143232
0.8191 Intermediate Similarity NPC130520
0.8191 Intermediate Similarity NPC84271
0.8191 Intermediate Similarity NPC274330
0.8191 Intermediate Similarity NPC102414
0.8191 Intermediate Similarity NPC77168
0.8191 Intermediate Similarity NPC470588
0.8191 Intermediate Similarity NPC25906
0.8191 Intermediate Similarity NPC290972
0.8191 Intermediate Similarity NPC293048
0.8191 Intermediate Similarity NPC474686
0.8182 Intermediate Similarity NPC117685
0.8182 Intermediate Similarity NPC476274
0.8182 Intermediate Similarity NPC471041
0.8182 Intermediate Similarity NPC201406
0.8172 Intermediate Similarity NPC88716
0.8172 Intermediate Similarity NPC307426
0.8172 Intermediate Similarity NPC477926
0.8172 Intermediate Similarity NPC51700
0.8172 Intermediate Similarity NPC474684
0.8172 Intermediate Similarity NPC102683
0.8172 Intermediate Similarity NPC293564
0.8172 Intermediate Similarity NPC18064
0.8172 Intermediate Similarity NPC98442
0.8172 Intermediate Similarity NPC142361
0.8172 Intermediate Similarity NPC171203
0.8172 Intermediate Similarity NPC68160
0.8172 Intermediate Similarity NPC130577
0.8172 Intermediate Similarity NPC242468
0.8172 Intermediate Similarity NPC142415
0.8163 Intermediate Similarity NPC474343
0.8163 Intermediate Similarity NPC473456
0.8163 Intermediate Similarity NPC26413
0.8152 Intermediate Similarity NPC470574
0.8144 Intermediate Similarity NPC317586
0.8144 Intermediate Similarity NPC469599
0.8144 Intermediate Similarity NPC180950
0.8144 Intermediate Similarity NPC222845
0.8144 Intermediate Similarity NPC162001
0.8144 Intermediate Similarity NPC470016
0.8144 Intermediate Similarity NPC280725
0.8144 Intermediate Similarity NPC45324
0.8144 Intermediate Similarity NPC183012
0.8144 Intermediate Similarity NPC210214
0.8144 Intermediate Similarity NPC279974
0.8144 Intermediate Similarity NPC98639
0.8125 Intermediate Similarity NPC118519
0.8125 Intermediate Similarity NPC158059
0.8125 Intermediate Similarity NPC229281
0.8125 Intermediate Similarity NPC263780
0.8125 Intermediate Similarity NPC139692
0.8125 Intermediate Similarity NPC470375
0.8125 Intermediate Similarity NPC86368
0.8125 Intermediate Similarity NPC152897
0.8125 Intermediate Similarity NPC476416
0.8125 Intermediate Similarity NPC136313
0.8125 Intermediate Similarity NPC307335
0.8125 Intermediate Similarity NPC79117
0.8125 Intermediate Similarity NPC118490
0.8125 Intermediate Similarity NPC66429
0.8125 Intermediate Similarity NPC151722
0.8125 Intermediate Similarity NPC470376
0.8125 Intermediate Similarity NPC202728
0.8125 Intermediate Similarity NPC470224
0.8125 Intermediate Similarity NPC74855
0.8119 Intermediate Similarity NPC112009
0.8119 Intermediate Similarity NPC72151
0.8119 Intermediate Similarity NPC95899
0.8111 Intermediate Similarity NPC90055
0.8111 Intermediate Similarity NPC121984
0.8111 Intermediate Similarity NPC473217
0.8111 Intermediate Similarity NPC471898
0.8105 Intermediate Similarity NPC471896

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC139459 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8602 High Similarity NPD7515 Phase 2
0.8542 High Similarity NPD7902 Approved
0.8421 Intermediate Similarity NPD7748 Approved
0.8316 Intermediate Similarity NPD6399 Phase 3
0.8261 Intermediate Similarity NPD3618 Phase 1
0.8229 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD7900 Approved
0.8021 Intermediate Similarity NPD6079 Approved
0.8 Intermediate Similarity NPD5328 Approved
0.7925 Intermediate Similarity NPD6650 Approved
0.7925 Intermediate Similarity NPD6649 Approved
0.7905 Intermediate Similarity NPD6372 Approved
0.7905 Intermediate Similarity NPD6373 Approved
0.79 Intermediate Similarity NPD7638 Approved
0.7895 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD4697 Phase 3
0.7872 Intermediate Similarity NPD7521 Approved
0.7872 Intermediate Similarity NPD7334 Approved
0.7872 Intermediate Similarity NPD6409 Approved
0.7872 Intermediate Similarity NPD7146 Approved
0.7872 Intermediate Similarity NPD5330 Approved
0.7872 Intermediate Similarity NPD6684 Approved
0.7849 Intermediate Similarity NPD3665 Phase 1
0.7849 Intermediate Similarity NPD3133 Approved
0.7849 Intermediate Similarity NPD4786 Approved
0.7849 Intermediate Similarity NPD3666 Approved
0.7835 Intermediate Similarity NPD8035 Phase 2
0.7835 Intermediate Similarity NPD8034 Phase 2
0.7826 Intermediate Similarity NPD3667 Approved
0.7822 Intermediate Similarity NPD7640 Approved
0.7822 Intermediate Similarity NPD7639 Approved
0.7812 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD6881 Approved
0.781 Intermediate Similarity NPD6899 Approved
0.78 Intermediate Similarity NPD6083 Phase 2
0.78 Intermediate Similarity NPD6084 Phase 2
0.7788 Intermediate Similarity NPD7128 Approved
0.7788 Intermediate Similarity NPD5739 Approved
0.7788 Intermediate Similarity NPD6675 Approved
0.7788 Intermediate Similarity NPD6402 Approved
0.7766 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD5697 Approved
0.7708 Intermediate Similarity NPD6903 Approved
0.7708 Intermediate Similarity NPD6672 Approved
0.7708 Intermediate Similarity NPD5737 Approved
0.77 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD5222 Approved
0.77 Intermediate Similarity NPD5221 Approved
0.7684 Intermediate Similarity NPD5279 Phase 3
0.7664 Intermediate Similarity NPD7102 Approved
0.7664 Intermediate Similarity NPD6883 Approved
0.7664 Intermediate Similarity NPD7290 Approved
0.7653 Intermediate Similarity NPD5281 Approved
0.7653 Intermediate Similarity NPD5284 Approved
0.7642 Intermediate Similarity NPD7320 Approved
0.7642 Intermediate Similarity NPD6011 Approved
0.7624 Intermediate Similarity NPD5173 Approved
0.7593 Intermediate Similarity NPD8130 Phase 1
0.7593 Intermediate Similarity NPD6847 Approved
0.7593 Intermediate Similarity NPD6869 Approved
0.7593 Intermediate Similarity NPD6617 Approved
0.7576 Intermediate Similarity NPD4202 Approved
0.757 Intermediate Similarity NPD6013 Approved
0.757 Intermediate Similarity NPD6014 Approved
0.757 Intermediate Similarity NPD6012 Approved
0.7549 Intermediate Similarity NPD5696 Approved
0.7547 Intermediate Similarity NPD5701 Approved
0.7523 Intermediate Similarity NPD6882 Approved
0.7523 Intermediate Similarity NPD8297 Approved
0.75 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD5285 Approved
0.7476 Intermediate Similarity NPD5286 Approved
0.7476 Intermediate Similarity NPD4696 Approved
0.7475 Intermediate Similarity NPD6411 Approved
0.7451 Intermediate Similarity NPD4755 Approved
0.7449 Intermediate Similarity NPD4753 Phase 2
0.7447 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD5210 Approved
0.7426 Intermediate Similarity NPD4629 Approved
0.7426 Intermediate Similarity NPD5695 Phase 3
0.7423 Intermediate Similarity NPD3573 Approved
0.7419 Intermediate Similarity NPD4695 Discontinued
0.7411 Intermediate Similarity NPD7115 Discovery
0.7404 Intermediate Similarity NPD5223 Approved
0.7379 Intermediate Similarity NPD4225 Approved
0.7368 Intermediate Similarity NPD4788 Approved
0.7333 Intermediate Similarity NPD5226 Approved
0.7333 Intermediate Similarity NPD5225 Approved
0.7333 Intermediate Similarity NPD5224 Approved
0.7333 Intermediate Similarity NPD4633 Approved
0.7333 Intermediate Similarity NPD5211 Phase 2
0.7321 Intermediate Similarity NPD6868 Approved
0.7308 Intermediate Similarity NPD4700 Approved
0.73 Intermediate Similarity NPD6050 Approved
0.7297 Intermediate Similarity NPD4632 Approved
0.7292 Intermediate Similarity NPD3668 Phase 3
0.7273 Intermediate Similarity NPD6673 Approved
0.7273 Intermediate Similarity NPD6080 Approved
0.7273 Intermediate Similarity NPD6904 Approved
0.7273 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6101 Approved
0.7264 Intermediate Similarity NPD5174 Approved
0.7264 Intermediate Similarity NPD5175 Approved
0.7263 Intermediate Similarity NPD4223 Phase 3
0.7263 Intermediate Similarity NPD4221 Approved
0.7234 Intermediate Similarity NPD7525 Registered
0.7216 Intermediate Similarity NPD1694 Approved
0.7216 Intermediate Similarity NPD5329 Approved
0.72 Intermediate Similarity NPD5692 Phase 3
0.72 Intermediate Similarity NPD5207 Approved
0.7196 Intermediate Similarity NPD5141 Approved
0.7193 Intermediate Similarity NPD6335 Approved
0.7184 Intermediate Similarity NPD7614 Phase 1
0.7174 Intermediate Similarity NPD6117 Approved
0.717 Intermediate Similarity NPD7632 Discontinued
0.7168 Intermediate Similarity NPD6274 Approved
0.7156 Intermediate Similarity NPD6686 Approved
0.7143 Intermediate Similarity NPD4519 Discontinued
0.7143 Intermediate Similarity NPD5280 Approved
0.7143 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4694 Approved
0.7143 Intermediate Similarity NPD4623 Approved
0.713 Intermediate Similarity NPD7101 Approved
0.713 Intermediate Similarity NPD6008 Approved
0.713 Intermediate Similarity NPD7100 Approved
0.7129 Intermediate Similarity NPD5694 Approved
0.7128 Intermediate Similarity NPD7645 Phase 2
0.7113 Intermediate Similarity NPD4197 Approved
0.7105 Intermediate Similarity NPD6009 Approved
0.7105 Intermediate Similarity NPD6317 Approved
0.7103 Intermediate Similarity NPD4754 Approved
0.7097 Intermediate Similarity NPD6116 Phase 1
0.7064 Intermediate Similarity NPD6412 Phase 2
0.7053 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6313 Approved
0.7043 Intermediate Similarity NPD6314 Approved
0.703 Intermediate Similarity NPD5785 Approved
0.7021 Intermediate Similarity NPD3617 Approved
0.7021 Intermediate Similarity NPD6115 Approved
0.7021 Intermediate Similarity NPD6114 Approved
0.7021 Intermediate Similarity NPD6697 Approved
0.7021 Intermediate Similarity NPD6118 Approved
0.7019 Intermediate Similarity NPD7732 Phase 3
0.7009 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4729 Approved
0.7 Intermediate Similarity NPD5168 Approved
0.7 Intermediate Similarity NPD5128 Approved
0.7 Intermediate Similarity NPD4730 Approved
0.7 Intermediate Similarity NPD5208 Approved
0.699 Remote Similarity NPD6001 Approved
0.6972 Remote Similarity NPD4768 Approved
0.6972 Remote Similarity NPD4767 Approved
0.697 Remote Similarity NPD4138 Approved
0.697 Remote Similarity NPD5690 Phase 2
0.697 Remote Similarity NPD4693 Phase 3
0.697 Remote Similarity NPD6098 Approved
0.697 Remote Similarity NPD4688 Approved
0.697 Remote Similarity NPD4689 Approved
0.697 Remote Similarity NPD4690 Approved
0.697 Remote Similarity NPD5205 Approved
0.6961 Remote Similarity NPD5693 Phase 1
0.6957 Remote Similarity NPD4058 Approved
0.6937 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6319 Approved
0.6923 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5779 Approved
0.6893 Remote Similarity NPD5778 Approved
0.6891 Remote Similarity NPD7604 Phase 2
0.6891 Remote Similarity NPD8328 Phase 3
0.6889 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6889 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7339 Approved
0.6882 Remote Similarity NPD6942 Approved
0.6875 Remote Similarity NPD5250 Approved
0.6875 Remote Similarity NPD5249 Phase 3
0.6875 Remote Similarity NPD5248 Approved
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5169 Approved
0.6875 Remote Similarity NPD4634 Approved
0.6875 Remote Similarity NPD5247 Approved
0.6875 Remote Similarity NPD5135 Approved
0.6875 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5251 Approved
0.6869 Remote Similarity NPD5363 Approved
0.6869 Remote Similarity NPD1696 Phase 3
0.6864 Remote Similarity NPD6909 Approved
0.6864 Remote Similarity NPD5983 Phase 2
0.6864 Remote Similarity NPD6908 Approved
0.6842 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6833 Remote Similarity NPD7492 Approved
0.6822 Remote Similarity NPD6404 Discontinued
0.6814 Remote Similarity NPD5127 Approved
0.6814 Remote Similarity NPD5215 Approved
0.6814 Remote Similarity NPD5217 Approved
0.6814 Remote Similarity NPD5216 Approved
0.6813 Remote Similarity NPD4691 Approved

Structure

External Identifiers

PubChem CID   72701756
ChEMBL   CHEMBL2431147
ZINC  

Physicochemical Properties

Molecular Weight:  386.25
ALogP:  0.8796
MLogP:  3.66
XLogP:  4.88
# Rotatable Bonds:  9
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  28

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Biological Activities  
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